5-methyl-4-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-methyl-4-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 4-[(4-isopropylphenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylate CAS Name: 5-methyl-4-[[(4-propan-2-ylphenyl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-methyl-4-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-methyl-4-[(p-cumenylthio)methyl]-2-furoate Formula: C16H17O3S- MolecularWeight: 289.36938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)[O-])CSC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=C(C=C(O1)C(=O)[O-])CSC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C16H18O3S/c1-10(2)12-4-6-14(7-5-12)20-9-13-8-15(16(17)18)19-11(13)3/h4-8,10H,9H2,1-3H3,(H,17,18)/p-1